Sugi Predict

Sugi Predict / Compounds / SCHEMBL7089247

SCHEMBL7089247

SCHEMBL7089247

COc1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2OC)C(C)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 20/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7087793 0.96 TACR1 (0.92) TACR1
SCHEMBL7090457 0.95 TACR1 (0.91) TACR1
SCHEMBL7091687 0.95 TACR1 (1.00) TACR1
SCHEMBL7084241 0.95 TACR1 (0.91) TACR1
SCHEMBL7650813 0.95 TACR1 (0.91) TACR1
SCHEMBL7082673 0.94 TACR1 (0.89) TACR1
SCHEMBL7089016 0.94 TACR1 (1.00) TACR1
SCHEMBL7088638 0.94 TACR1 (0.88) TACR1
SCHEMBL7088172 0.94 TACR1 (1.00) TACR1
SCHEMBL7088736 0.94 TACR1 (0.88) TACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 — — EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 — — US disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 — — EP disclosed
WO-1999007677-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1999-02-18 — — WO disclosed